CID 4031160

2089256-12-0

Structural Information

Molecular Formula
C8H9NO2S
SMILES
C1CC1C2=CSC(=N2)CC(=O)O
InChI
InChI=1S/C8H9NO2S/c10-8(11)3-7-9-6(4-12-7)5-1-2-5/h4-5H,1-3H2,(H,10,11)
InChIKey
DZLDTXOQSKIKJQ-UHFFFAOYSA-N
Compound name
2-(4-cyclopropyl-1,3-thiazol-2-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

183.0354 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.04268 134.5
[M+Na]+ 206.02462 144.8
[M-H]- 182.02812 140.0
[M+NH4]+ 201.06922 150.0
[M+K]+ 221.99856 141.0
[M+H-H2O]+ 166.03266 128.4
[M+HCOO]- 228.03360 152.4
[M+CH3COO]- 242.04925 179.4
[M+Na-2H]- 204.01007 136.0
[M]+ 183.03485 138.7
[M]- 183.03595 138.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.